| SpectraBase Spectrum ID |
8mdNrCvNqGJ |
| Name |
1,9-Bis[1-{3-[3,5-bis(ethoxycarbonyl)-1H-pyrazol-1-yl]propyl}-5-ethoxycarbonyl-1H-pyrazol-3-yl]-1,9-dioxo-2,5,8-trioxanonane |
| Alternate Name(s) |
3-(2-{2-[(1-{3-[3,5-bis(ethoxycarbonyl)-1H-pyrazol-1-yl]propyl}-5-(ethoxycarbonyl)-1H-pyrazol-3-yl)carbonyloxy]ethoxy}ethyl) 5-ethyl 1-{3-[3,5-bis(ethoxycarbonyl)-1H-pyrazol-1-yl]propyl}-1H-pyrazole-3,5-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H54N8O17 |
| InChI |
InChI=1S/C42H54N8O17/c1-7-60-35(51)27-23-31(39(55)62-9-3)47(43-27)15-13-17-49-33(41(57)64-11-5)25-29(45-49)37(53)66-21-19-59-20-22-67-38(54)30-26-34(42(58)65-12-6)50(46-30)18-14-16-48-32(40(56)63-10-4)24-28(44-48)36(52)61-8-2/h23-26H,7-22H2,1-6H3 |
| InChIKey |
HHUBNZTXFZWANL-UHFFFAOYSA-N |
| Molecular Weight |
942.933 g/mol |
| SMILES |
c1(cc(C(=O)OCCOCCOC(c2cc(C(=O)OCC)[n](n2)CCC[n]2c(cc(n2)C(=O)OCC)C(=O)OCC)=O)n[n]1CCC[n]1c(cc(n1)C(=O)OCC)C(=O)OCC)C(=O)OCC |
| SPLASH |
splash10-0udi-0090000000-6264a998cd66dc6fe949 |
| Source of Spectrum |
F-53-11485-10 |
| Wiley ID |
803467 |
![1,9-Bis[1-{3-[3,5-bis(ethoxycarbonyl)-1H-pyrazol-1-yl]propyl}-5-ethoxycarbonyl-1H-pyrazol-3-yl]-1,9-dioxo-2,5,8-trioxanonane](/api/spectrum/8mdNrCvNqGJ/structure.png?h=300&w=458 "1,9-Bis[1-{3-[3,5-bis(ethoxycarbonyl)-1H-pyrazol-1-yl]propyl}-5-ethoxycarbonyl-1H-pyrazol-3-yl]-1,9-dioxo-2,5,8-trioxanonane")
